| Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ... Journal of computational chemistry 37 (5), 506-541, 2016 | 1593 | 2016 |
| Conical intersection dynamics of the primary photoisomerization event in vision D Polli, P Altoè, O Weingart, KM Spillane, C Manzoni, D Brida, ... Nature 467 (7314), 440-443, 2010 | 1056 | 2010 |
| On the Mechanism of the cis−trans Isomerization in the Lowest Electronic States of Azobenzene: S0, S1, and T1 A Cembran, F Bernardi, M Garavelli, L Gagliardi, G Orlandi Journal of the American Chemical Society 126 (10), 3234-3243, 2004 | 615 | 2004 |
| Modern quantum chemistry with [Open] Molcas F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ... The Journal of chemical physics 152 (21), 2020 | 391 | 2020 |
| Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization R González-Luque, M Garavelli, F Bernardi, M Merchán, MA Robb, ... Proceedings of the National Academy of Sciences 97 (17), 9379-9384, 2000 | 389 | 2000 |
| The C5H6NH2+ Protonated Shiff Base: An ab Initio Minimal Model for Retinal Photoisomerization M Garavelli, P Celani, F Bernardi, MA Robb, M Olivucci Journal of the American Chemical Society 119 (29), 6891-6901, 1997 | 364 | 1997 |
| Ultrafast spectroscopy: State of the art and open challenges M Maiuri, M Garavelli, G Cerullo Journal of the American Chemical Society 142 (1), 3-15, 2019 | 329 | 2019 |
| The different photoisomerization efficiency of azobenzene in the lowest nπ* and ππ* singlets: the role of a phantom state I Conti, M Garavelli, G Orlandi Journal of the American Chemical Society 130 (15), 5216-5230, 2008 | 240 | 2008 |
| Ab Initio Photoisomerization Dynamics of a Simple Retinal Chromophore Model T Vreven, F Bernardi, M Garavelli, M Olivucci, MA Robb, HB Schlegel Journal of the American Chemical Society 119 (51), 12687-12688, 1997 | 223 | 1997 |
| Can diarylethene photochromism be explained by a reaction path alone? A CASSCF study with model MMVB dynamics M Boggio-Pasqua, M Ravaglia, MJ Bearpark, M Garavelli, MA Robb The Journal of Physical Chemistry A 107 (50), 11139-11152, 2003 | 214 | 2003 |
| Reaction path of a sub-200 fs photochemical electrocyclic reaction M Garavelli, CS Page, P Celani, M Olivucci, WE Schmid, SA Trushin, ... The Journal of Physical Chemistry A 105 (18), 4458-4469, 2001 | 206 | 2001 |
| A computational strategy for organic photochemistry MA Robb, M Garavelli, M Olivucci, F Bernardi Reviews in computational chemistry, 87-146, 2000 | 205 | 2000 |
| Photoisomerization path for a realistic retinal chromophore model: the nonatetraeniminium cation M Garavelli, T Vreven, P Celani, F Bernardi, MA Robb, M Olivucci Journal of the American Chemical Society 120 (6), 1285-1288, 1998 | 201 | 1998 |
| A global investigation of excited state surfaces within time-dependent density-functional response theory M Wanko, M Garavelli, F Bernardi, TA Niehaus, T Frauenheim, M Elstner The Journal of chemical physics 120 (4), 1674-1692, 2004 | 187 | 2004 |
| Relaxation paths from a conical intersection: The mechanism of product formation in the cyclohexadiene/hexatriene photochemical interconversion M Garavelli, P Celani, M Fato, MJ Bearpark, BR Smith, M Olivucci, ... The Journal of Physical Chemistry A 101 (11), 2023-2032, 1997 | 187 | 1997 |
| Triplet pathways in diarylethene photochromism: photophysical and computational study of dyads containing ruthenium (II) polypyridine and 1, 2-bis (2-methylbenzothiophene-3-yl … MT Indelli, S Carli, M Ghirotti, C Chiorboli, M Ravaglia, M Garavelli, ... Journal of the American Chemical Society 130 (23), 7286-7299, 2008 | 185 | 2008 |
| A theoretical study of the lowest electronic states of azobenzene: the role of torsion coordinate in the cis–trans photoisomerization L Gagliardi, G Orlandi, F Bernardi, A Cembran, M Garavelli Theoretical Chemistry Accounts 111, 363-372, 2004 | 179 | 2004 |
| Potential-energy surfaces for ultrafast photochemistry Static and dynamic aspects MA Robb Faraday Discussions 110, 51-70, 1998 | 167 | 1998 |
| Solvent effects on the vibrational activity and photodynamics of the green fluorescent protein chromophore: A quantum-chemical study P Altoe', F Bernardi, M Garavelli, G Orlandi, F Negri Journal of the American Chemical Society 127 (11), 3952-3963, 2005 | 161 | 2005 |
| Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching G Tomasello, G Olaso-Gonzalez, P Altoe, M Stenta, L Serrano-Andres, ... Journal of the American Chemical Society 131 (14), 5172-5186, 2009 | 138 | 2009 |
